General Information of the Compound
| Compound ID |
CP0030297
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| Compound Name |
[2-amino-4-(trifluoromethoxy)phenyl]-[4-[2-methyl-7-(4-methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C26H30F3N7O2
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| Molecular Weight |
529.567
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| Canonical SMILES |
CN1CCN(CC1)c1cnc2c(nc(C)nc2c1)C1CCN(CC1)C(=O)c1ccc(OC(F)(F)F)cc1N
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| InChI |
InChI=1S/C26H30F3N7O2/c1-16-32-22-13-18(35-11-9-34(2)10-12-35)15-31-24(22)23(33-16)17-5-7-36(8-6-17)25(37)20-4-3-19(14-21(20)30)38-26(27,28)29/h3-4,13-15,17H,5-12,30H2,1-2H3
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| InChIKey |
AROOGPVJRFLMEV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound